Arsenic in PDB 7eeu: Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic

The structure of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic, PDB code: 7eeu was solved by Y.F.Xing, M.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.39 / 2.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	73.815, 95.575, 99.646, 89.62, 89.85, 75.79
R / Rfree (%)	23.4 / 26.4

The structure of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Arsenic atom in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic (pdb code 7eeu). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic, PDB code: 7eeu:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Arsenic binding site 1 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ A:As301 b:185.8 occ:1.00 CB A:CYS141 2.1 83.9 1.0 SG A:CYS124 2.1 117.7 1.0 SG A:CYS135 2.1 152.3 1.0 SG A:CYS141 2.1 110.4 1.0 CB A:CYS135 3.2 104.3 1.0 CB A:CYS124 3.5 83.2 1.0 CA A:CYS141 3.5 75.8 1.0 SD A:MET133 3.6 110.7 1.0 CG A:MET133 4.0 88.7 1.0 CA A:CYS135 4.1 93.5 1.0 N A:CYS141 4.1 71.5 1.0 O A:LYS139 4.2 74.8 1.0 C A:CYS141 4.4 76.1 1.0 CA A:CYS124 4.5 70.4 1.0 O A:CYS141 4.7 83.2 1.0 C A:THR140 4.7 67.1 1.0 CE A:MET133 4.7 112.8 1.0 O A:THR140 4.7 59.6 1.0 O A:PHE134 4.9 76.0 1.0 N A:CYS135 5.0 80.3 1.0

Arsenic binding site 2 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ B:As301 b:161.5 occ:1.00 CB B:CYS141 2.0 87.5 1.0 SG B:CYS124 2.1 106.0 1.0 SG B:CYS135 2.1 132.2 1.0 SG B:CYS141 2.1 111.9 1.0 CB B:CYS135 3.3 100.7 1.0 CA B:CYS141 3.4 78.2 1.0 CB B:CYS124 3.4 72.9 1.0 SD B:MET133 3.9 99.8 1.0 N B:CYS141 3.9 83.3 1.0 O B:LYS139 4.0 127.0 1.0 CA B:CYS135 4.1 87.0 1.0 CG B:MET133 4.2 90.0 1.0 C B:CYS141 4.4 85.3 1.0 CA B:CYS124 4.4 71.2 1.0 C B:THR140 4.5 87.7 1.0 O B:THR140 4.5 88.9 1.0 O B:CYS141 4.7 95.1 1.0 CE B:MET133 4.9 109.7 1.0

Arsenic binding site 3 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ C:As301 b:178.2 occ:1.00 SG C:CYS135 2.1 137.2 1.0 SG C:CYS124 2.2 139.1 1.0 SG C:CYS141 2.2 98.2 1.0 CB C:CYS141 2.3 97.7 1.0 CB C:CYS135 3.1 99.9 1.0 SD C:MET133 3.5 114.9 1.0 CB C:CYS124 3.6 98.6 1.0 CA C:CYS141 3.8 81.9 1.0 CG C:MET133 3.8 98.2 1.0 CA C:CYS135 4.0 85.8 1.0 N C:CYS141 4.4 72.1 1.0 O C:LYS139 4.4 101.8 1.0 CA C:CYS124 4.6 90.4 1.0 C C:CYS141 4.6 83.0 1.0 CE C:MET133 4.6 97.3 1.0 O C:CYS141 4.8 83.2 1.0 N C:CYS135 4.8 87.1 1.0 O C:PHE134 4.9 74.8 1.0 C C:THR140 4.9 77.0 1.0 O C:THR140 5.0 86.6 1.0 CE1 C:TYR236 5.0 79.8 1.0

Arsenic binding site 4 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ D:As301 b:177.0 occ:1.00 SG D:CYS135 2.1 111.5 1.0 CB D:CYS141 2.1 101.7 1.0 SG D:CYS141 2.1 125.1 1.0 SG D:CYS124 2.2 120.8 1.0 CB D:CYS135 3.2 86.3 1.0 CB D:CYS124 3.6 86.7 1.0 CA D:CYS141 3.6 83.2 1.0 SD D:MET133 3.6 121.1 1.0 CG D:MET133 4.0 104.1 1.0 CA D:CYS135 4.0 74.9 1.0 N D:CYS141 4.2 78.0 1.0 O D:LYS139 4.2 84.0 1.0 C D:CYS141 4.5 83.4 1.0 CA D:CYS124 4.5 89.2 1.0 C D:THR140 4.7 78.0 1.0 O D:CYS141 4.7 87.4 1.0 CE D:MET133 4.8 112.4 1.0 O D:THR140 4.8 80.2 1.0 N D:CYS135 4.9 75.9 1.0 O D:PHE134 4.9 71.8 1.0

Arsenic binding site 5 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ E:As301 b:188.9 occ:1.00 SG E:CYS135 2.1 114.4 1.0 SG E:CYS141 2.2 126.7 1.0 SG E:CYS124 2.2 123.0 1.0 CB E:CYS141 2.2 117.3 1.0 CB E:CYS135 3.1 87.0 1.0 SD E:MET133 3.5 96.6 1.0 CB E:CYS124 3.6 85.8 1.0 CA E:CYS141 3.7 105.7 1.0 CG E:MET133 3.8 79.5 1.0 CA E:CYS135 4.0 78.4 1.0 N E:CYS141 4.3 94.2 1.0 O E:LYS139 4.4 105.3 1.0 CA E:CYS124 4.6 79.5 1.0 C E:CYS141 4.6 97.3 1.0 CE E:MET133 4.6 99.7 1.0 O E:CYS141 4.8 107.8 1.0 N E:CYS135 4.9 74.0 1.0 O E:PHE134 4.9 73.4 1.0 C E:THR140 4.9 95.7 1.0 O E:THR140 4.9 107.6 1.0

Arsenic binding site 6 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ F:As301 b:191.5 occ:1.00 SG F:CYS135 2.1 151.9 1.0 SG F:CYS124 2.2 119.8 1.0 SG F:CYS141 2.2 115.4 1.0 CB F:CYS141 2.2 121.6 1.0 CB F:CYS135 3.1 108.3 1.0 SD F:MET133 3.5 122.8 1.0 CB F:CYS124 3.6 83.5 1.0 CA F:CYS141 3.7 108.4 1.0 CG F:MET133 3.9 91.7 1.0 CA F:CYS135 4.0 93.5 1.0 N F:CYS141 4.3 106.5 1.0 O F:LYS139 4.4 115.8 1.0 CA F:CYS124 4.5 78.4 1.0 C F:CYS141 4.6 101.6 1.0 CE F:MET133 4.6 138.2 1.0 O F:CYS141 4.8 96.7 1.0 N F:CYS135 4.8 94.5 1.0 O F:PHE134 4.9 87.0 1.0 C F:THR140 4.9 110.4 1.0 O F:THR140 4.9 116.1 1.0

Arsenic binding site 7 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ G:As301 b:195.4 occ:1.00 SG G:CYS135 2.1 118.0 1.0 SG G:CYS124 2.2 112.1 1.0 SG G:CYS141 2.2 150.5 1.0 CB G:CYS141 2.3 121.0 1.0 CB G:CYS135 3.1 95.5 1.0 SD G:MET133 3.4 136.2 1.0 CB G:CYS124 3.6 79.2 1.0 CA G:CYS141 3.7 97.9 1.0 CG G:MET133 3.8 107.5 1.0 CA G:CYS135 4.0 82.9 1.0 N G:CYS141 4.3 91.1 1.0 O G:LYS139 4.4 87.5 1.0 CA G:CYS124 4.5 81.2 1.0 CE G:MET133 4.6 132.7 1.0 C G:CYS141 4.6 89.2 1.0 O G:CYS141 4.8 80.0 1.0 N G:CYS135 4.8 79.8 1.0 O G:PHE134 4.9 71.4 1.0 C G:THR140 4.9 89.7 1.0 O G:THR140 5.0 100.1 1.0

Arsenic binding site 8 out of 8 in the Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic within 5.0Å range: probe atom residue distance (Å) B Occ H:As301 b:172.4 occ:1.00 SG H:CYS135 2.1 126.8 1.0 SG H:CYS124 2.2 118.8 1.0 SG H:CYS141 2.2 136.5 1.0 CB H:CYS141 2.3 116.5 1.0 CB H:CYS135 3.1 95.7 1.0 SD H:MET133 3.5 144.7 1.0 CB H:CYS124 3.6 100.7 1.0 CA H:CYS141 3.7 96.0 1.0 CG H:MET133 3.8 109.7 1.0 CA H:CYS135 3.9 87.1 1.0 N H:CYS141 4.3 89.1 1.0 O H:LYS139 4.4 96.7 1.0 CA H:CYS124 4.5 93.0 1.0 C H:CYS141 4.6 81.5 1.0 CE H:MET133 4.6 139.5 1.0 N H:CYS135 4.8 80.1 1.0 O H:CYS141 4.8 87.8 1.0 O H:PHE134 4.8 79.3 1.0 C H:THR140 4.9 90.5 1.0 O H:THR140 5.0 100.3 1.0

Y.F.Xing, M.Lu. Human P53 Core Domain with Hot Spot Mutation R282W in Complex with the Natural CDKN1A(P21) P53-Response Element and Arsenic To Be Published.